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(E) and (Z)-(5R,6S)-5,7-Dimethyl-4,6,7-tris(phenylthio)oct-2-ene
SpectraBase Compound ID CmXrR0P999J
InChI InChI=1S/C28H32S3/c1-5-15-26(29-23-16-9-6-10-17-23)22(2)27(30-24-18-11-7-12-19-24)28(3,4)31-25-20-13-8-14-21-25/h5-22,26-27H,1-4H3/b15-5+
InChIKey LHCNXGLENJLSIS-PJQLUOCWSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H32S3
Exact Mass 464.166615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KsUp2iT78k
Name (E) and (Z)-(5R,6S)-5,7-Dimethyl-4,6,7-tris(phenylthio)oct-2-ene
Alternate Name(s) (E) and (Z)-(5RS,6RS)-5,7-Dimethyl-4,6,7-tris(phenylthio)oct-2-ene (E)-(5RS,6RS)-5,7-Dimethyl-4,6,7-tris(phenylthio)oct-2-ene {[(2S,3R,5E)-1,1,3-trimethyl-2,4-bis(phenylsulfanyl)-5-heptenyl]sulfanyl}benzene
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Formula C28H32S3
InChI InChI=1S/C28H32S3/c1-5-15-26(29-23-16-9-6-10-17-23)22(2)27(30-24-18-11-7-12-19-24)28(3,4)31-25-20-13-8-14-21-25/h5-22,26-27H,1-4H3/b15-5+
InChIKey LHCNXGLENJLSIS-PJQLUOCWSA-N
Molecular Weight 464.744 g/mol
SMILES C(C(Sc1ccccc1)(C)C)(C(C(Sc1ccccc1)\C=C\C)C)Sc1ccccc1
SPLASH splash10-03di-0912000000-81cd21cfc04879ad8850
Source of Spectrum KC-0-2960-17
Wiley ID 782385